35925-48-5

tetrapropylammonium trifluoromethanesulphonate(35925-48-5)核磁图(¹HNMR)

产品名称:tetrapropylammonium trifluoromethanesulphonate

CAS:35925-48-5

分子式:C13H28F3NO3S

分子量: 335.4265296

InChI:InChI=1S/C12H28N.CHF3O3S/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)8(5,6)7/h5-12H2,1-4H3;(H,5,6,7)/q+1;/p-1

InChIKey: IGVWFPZXBUTUCG-UHFFFAOYSA-M

Smiles:[N+](CCC)(CCC)(CCC)CCC.C(F)(F)(F)S([O-])(=O)=O

Mass

MS-NW-7202          
tetrapropylammonium trifluoromethanesulfonate
C13H28F3NO3S        (Mass of molecular ion:    335)

   Source Temperature: 190 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       2.9
      27.0       4.1
      28.0       1.3
      30.0       6.3
      39.0       2.3
      41.0       8.6
      42.0       4.1
      43.0       9.2
      44.0       1.5
      56.0       1.2
      58.0       2.9
      64.0       1.3
      69.0       2.2
      70.0       2.3
      72.0       4.9
      84.0       1.3
      86.0       2.9
     100.0       1.4
     112.0       2.0
     114.0      34.2
     115.0       3.0
     142.0       7.6
     143.0       2.4
     144.0       2.8
     186.0     100.0
     187.0      13.5

400 MHz in DMSO-d6

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₂₈ F₃ N O₃ S	0.040 g : 0.5 ml DMSO-d₆
tetrapropylammonium trifluoromethanesulfonate

    Assign.     Shift(ppm)

      A             3.134
      B             1.616
      C             0.900

     Hz     ppm     Int.

   1260.74   3.155    222
   1255.86   3.143    155
   1252.20   3.134    201
   1248.05   3.123    155
   1243.77   3.113    230
    666.02   1.667     28
    658.69   1.649    102
    651.12   1.630    159
    646.73   1.619    135
    642.21   1.607    159
    634.64   1.588    108
    627.44   1.570     34
    367.07   0.919    475
    359.86   0.901   1000
    352.54   0.883    427

¹H NMR	89.56 MHz
C₁₃ H₂₈ F₃ N O₃ S	saturated in CDCl₃
tetrapropylammonium trifluoromethanesulfonate

    Assign.     Shift(ppm)

      A             3.19
      B             1.71
      C             1.03

     Hz     ppm     Int.

    294.75   3.292    251
    289.81   3.236    179
    286.31   3.197    234
    281.81   3.147    185
    277.94   3.104    316
    159.88   1.786    232
    148.94   1.664    176
     98.81   1.104    576
     91.88   1.026   1000
     84.38   0.943    336

in DMSO-d6

KBr disc

nujol mull

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tetrapropylammonium trifluoromethanesulphonate(35925-48-5)核磁图(1HNMR)

tetrapropylammonium trifluoromethanesulphonate(35925-48-5)核磁图(¹HNMR)